NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4902 8.3049 118.1940 55.0645 32.5952 173.8013 2 K 4.4779 8.2173 116.3102 53.9593 36.0001 174.2015 3 Q 4.3248 8.6041 121.3743 54.2657 31.8892 174.9431 4 R 4.0717 8.5616 126.4682 55.3205 29.1216 174.9463 5 I 4.1697 8.0297 125.9840 59.4053 38.2529 174.7357 6 T 4.3383 8.2507 122.2098 60.2254 69.4161 173.5379 7 V 3.9851 8.1030 123.0591 59.6297 31.1689 176.0646 8 T 4.0102 8.0713 115.7939 61.9111 68.6238 174.8752 9 V 4.6729 7.3461 135.0000 60.6837 30.0610 178.1044 10 D 5.1704 9.5525 117.8215 53.9922 40.8515 173.6857 11 S 4.5280 8.2916 111.7538 59.2747 62.9294 173.9007 12 D 4.7538 7.7339 119.2793 53.4121 41.6432 177.1701 13 S 4.2154 8.5881 115.4521 61.1490 63.4081 176.2518 14 Y 4.1491 7.6655 122.2788 61.1413 38.2713 178.1639 15 Q 3.5223 8.4031 117.9857 58.9350 28.5170 179.0220 16 L 3.6032 7.5997 118.9749 57.6186 41.9930 179.0934 17 L 4.0288 7.5397 119.6232 58.0662 42.0833 179.0084 18 K 4.0420 7.4933 118.2375 59.4746 32.2997 178.7716 19 A 4.0164 8.0141 121.7893 54.0253 18.1694 177.3889 20 Y 5.8460 7.5885 111.4802 55.9351 40.2035 175.7667 21 D 5.5904 7.1876 129.3149 54.8829 44.4673 179.1275 22 V 3.9245 7.2267 121.6987 61.7400 29.9425 177.5461 23 N 5.0846 7.4946 124.0957 53.4156 39.5070 173.2693 24 I 4.4802 7.5102 113.6062 61.1477 40.3715 178.4424 25 S 4.3890 8.6312 116.4462 61.7962 62.4661 176.9919 26 G 3.4082 8.0834 108.9905 46.9963 0.0000 175.0179 27 L 3.9605 7.9214 122.3036 57.9177 41.4977 178.7061 28 V 3.9819 8.9660 118.6967 66.6994 31.2030 178.3385 29 S 4.2794 7.4798 112.5190 61.1505 63.0083 176.6788 30 T 4.0938 7.6584 118.8430 66.7770 68.4824 176.8003 31 T 3.9121 8.8960 115.8374 65.1778 66.6452 175.9355 32 M 4.0548 7.7213 119.7339 58.2676 32.0598 177.9835 33 Q 4.2068 7.8327 119.3410 59.3965 29.0218 178.5255 34 N 4.3811 8.0086 117.2180 56.7957 39.0863 176.4927 35 E 4.1571 7.8777 116.7011 57.9475 29.7930 178.6974 36 A 4.2215 9.1396 122.2473 54.7195 18.8495 179.3375 37 R 3.8669 8.4307 116.0735 59.8674 30.3658 179.4793 38 R 4.0766 7.7814 115.7909 57.4264 30.2638 177.2037 39 L 4.0599 7.3638 121.6091 55.2888 42.6052 177.3389 40 R 4.2625 8.5327 124.7737 55.0715 30.0390 173.0781 41 A 3.7800 7.7111 121.5767 52.9866 17.7190 177.7641 42 E 3.9146 7.6802 113.9230 55.1645 30.5805 177.2247 43 R 4.3807 7.7124 119.6995 54.8571 31.9303 174.5035 44 W 4.6925 8.2886 122.5850 55.2101 31.0999 173.3252 45 K 4.2827 8.2963 124.2404 53.7388 38.2888 174.4263 46 V 3.4971 8.1273 122.7817 62.4580 31.4584 172.2682 47 E 4.4790 7.4996 123.6956 55.6309 31.3687 174.3921 48 N 4.9333 8.3924 123.9562 51.2611 41.7834 174.1539 49 Q 4.5340 8.0670 116.4089 56.0106 31.0039 173.7646 50 E 4.3638 9.0297 121.6626 57.8331 31.0440 174.1616 51 G 3.9562 8.8489 113.1223 43.9279 0.0000 171.0749 52 M 3.3070 7.2995 117.9180 54.4954 30.9980 177.3193 53 V 4.2977 7.8213 118.9941 62.7508 34.2361 176.1652 54 E 4.4954 8.0003 114.5940 55.9309 31.1817 176.7564 55 V 4.3402 8.1279 118.3901 63.1825 32.5403 172.9252 56 A 4.2987 6.9239 126.1280 49.5382 25.3373 176.5297 57 R 5.3576 7.0870 120.4332 55.6295 32.2764 171.8892 58 F 4.4810 8.6721 118.3184 56.6098 39.5924 175.4742 59 I 3.3244 9.4131 127.6198 61.0795 37.3307 172.8041 60 E 4.6583 8.4798 118.2086 54.8201 31.9691 174.7371 61 M 4.6642 8.5848 122.5479 53.4585 34.5342 175.2263 62 N 4.5333 9.3671 121.8635 54.1984 41.4160 173.9484 63 G 4.2726 7.5463 107.1327 44.6273 0.0000 176.0153 64 S 4.5267 8.9859 118.8380 56.7106 64.8063 171.3869 65 F 4.7060 8.3422 121.3492 54.9928 42.7262 173.8728 66 A 4.4016 8.9732 130.7948 52.3186 16.9950 177.8737 67 D 5.4245 8.7819 125.1972 55.1192 44.3133 175.8037 68 E 5.0418 8.1322 116.7987 54.9455 33.7361 175.4819 69 N 4.4591 8.8661 119.0256 52.8526 38.2670 176.5042 70 K 3.8420 7.2371 119.3194 55.5250 31.8849 173.9020 71 D 4.8770 8.2551 117.9007 53.6176 42.4664 175.8388 72 W 4.4457 8.4055 131.8429 57.9772 30.5467 174.1309 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.49 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 K 8.22 4.48 0.00 1.78 1.68 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.49 7.81 3 Q 8.60 4.32 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.13 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 4 R 8.56 4.07 0.00 1.80 1.85 0.00 3.26 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 5 I 8.03 4.17 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.93 0.00 0.00 6 T 8.25 4.34 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 7 V 8.10 3.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.82 0.00 0.00 8 T 8.07 4.01 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 9 V 7.35 4.67 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.63 0.00 0.00 10 D 9.55 5.17 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.29 4.53 0.00 3.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.73 4.75 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.59 4.22 0.00 3.90 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.67 4.15 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.40 3.52 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.76 2.51 0.00 16 L 7.60 3.60 0.00 1.75 1.62 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.54 4.03 0.00 1.63 1.51 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.49 4.04 0.00 1.83 1.56 0.00 1.24 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 1.06 7.81 19 A 8.01 4.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.59 5.85 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.19 5.59 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.23 3.92 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 23 N 7.49 5.08 0.00 2.66 2.72 0.00 0.00 7.09 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.51 4.48 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.25 0.87 0.00 0.00 25 S 8.63 4.39 0.00 4.09 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.08 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.92 3.96 0.00 1.79 1.90 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.97 3.98 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.04 0.00 0.00 29 S 7.48 4.28 0.00 3.75 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.66 4.09 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 31 T 8.90 3.91 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 32 M 7.72 4.05 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.85 0.00 33 Q 7.83 4.21 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 34 N 8.01 4.38 0.00 2.88 2.94 0.00 0.00 7.24 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.88 4.16 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 36 A 9.14 4.22 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.43 3.87 0.00 1.92 2.03 0.00 3.34 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 38 R 7.78 4.08 0.00 1.91 2.01 0.00 3.18 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 39 L 7.36 4.06 0.00 1.57 1.78 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.53 4.26 0.00 1.74 1.79 0.00 3.42 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 41 A 7.71 3.78 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.68 3.91 0.00 1.85 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 43 R 7.71 4.38 0.00 1.82 1.79 0.00 2.95 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.54 0.00 44 W 8.29 4.69 0.00 3.49 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.30 4.28 0.00 1.72 1.67 0.00 1.95 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.32 7.81 46 V 8.13 3.50 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.01 0.00 0.00 47 E 7.50 4.48 0.00 1.94 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 48 N 8.39 4.93 0.00 2.72 2.69 0.00 0.00 7.07 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.07 4.53 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.62 0.00 0.00 0.00 0.00 0.00 2.46 2.13 0.00 50 E 9.03 4.36 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 51 G 8.85 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.30 3.31 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 53 V 7.82 4.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 54 E 8.00 4.50 0.00 2.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.65 0.00 55 V 8.13 4.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.95 0.00 0.00 56 A 6.92 4.30 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.09 5.36 0.00 2.02 2.04 0.00 2.95 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.25 0.00 58 F 8.67 4.48 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 9.41 3.32 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.30 0.93 0.00 0.00 60 E 8.48 4.66 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 61 M 8.58 4.66 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 62 N 9.37 4.53 0.00 2.43 2.46 0.00 0.00 6.88 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.55 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.99 4.53 0.00 3.80 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.34 4.71 0.00 2.80 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.97 4.40 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.78 5.42 0.00 3.22 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.13 5.04 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 69 N 8.87 4.46 0.00 2.87 2.98 0.00 0.00 6.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.24 3.84 0.00 2.05 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 71 D 8.26 4.88 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 W 8.41 4.45 0.00 3.46 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00